methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate

C14H11NO4 — CID 59094591

IUPACmethyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
SMILESCOC(=O)c1cn2c3c(cccc3c1=O)OC=C2C
InChIInChI=1S/C14H11NO4/c1-8-7-19-11-5-3-4-9-12(11)15(8)6-10(13(9)16)14(17)18-2/h3-7H,1-2H3
InChIKeyZAQYSJBKOKYZLJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.00
Rot. Bonds1

About methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate

methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate (PubChem CID 59094591) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
PubChem CID59094591
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
SMILESCOC(=O)c1cn2c3c(cccc3c1=O)OC=C2C
InChIInChI=1S/C14H11NO4/c1-8-7-19-11-5-3-4-9-12(11)15(8)6-10(13(9)16)14(17)18-2/h3-7H,1-2H3
InChIKeyZAQYSJBKOKYZLJ-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate with MolForge

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Related Compounds

ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
CID 141442916
methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate
CID 10587229
(1-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl) 1-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 141360064
methyl 8-amino-4-oxochromene-3-carboxylate
CID 53415168
methyl 1,4-benzodioxine-5-carboxylate
CID 15380893
ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 8-methyl-2-oxochromene-4-carboxylate
CID 12008880
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 5,8-dimethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxylate
CID 177224137
10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 21261005
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
The IUPAC name of methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate (CID 59094591) is methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate.
What is the SMILES notation for methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
The canonical SMILES for methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate is COC(=O)c1cn2c3c(cccc3c1=O)OC=C2C.
What is the InChIKey of methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
The InChIKey is ZAQYSJBKOKYZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-8-7-19-11-5-3-4-9-12(11)15(8)6-10(13(9)16)14(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate?
methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate is sourced from PubChem (CID 59094591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).